N-(piperidin-4-ylmethyl)-2-(4-propanoylphenoxy)acetamide

• ChemBase ID: 457313
• Molecular Formular: C17H24N2O3
• Molecular Mass: 304.38406
• Monoisotopic Mass: 304.17869264
• SMILES: C(=O)(NCC1CCNCC1)COc1ccc(C(=O)CC)cc1
• Canonical SMILES: CCC(=O)c1ccc(cc1)OCC(=O)NCC1CCNCC1
• InChI: InChI=1S/C17H24N2O3/c1-2-16(20)14-3-5-15(6-4-14)22-12-17(21)19-11-13-7-9-18-10-8-13/h3-6,13,18H,2,7-12H2,1H3,(H,19,21)
• InChIKey: NWIPSZRTKHWHLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-ylmethyl)-2-(4-propanoylphenoxy)acetamide
• IUPAC Traditional name: N-(piperidin-4-ylmethyl)-2-(4-propanoylphenoxy)acetamide
• Synonyms: N-(piperidin-4-ylmethyl)-2-(4-propionylphenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.919107
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.1484323
• LogD (pH = 7.4): -1.4807813
• Log P: 1.0728337
• Molar Refractivity: 85.3288 cm^3
• Polarizability: 33.31936 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.32
• LOG S: -2.55
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7